PdF3
Palladium trifluoride · Palladium(III) fluoride
Palladium trifluoride is a stable, semiconducting inorganic compound utilized in research related to catalytic materials.
About Palladium trifluoride
Palladium trifluoride is a distinct member of the platinum-group alloy catalyst family, characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system.
Its structural significance is highlighted by extensive documentation across multiple materials databases. This stability and electronic profile make it a subject of interest for researchers exploring specialized catalytic processes and inorganic synthesis.
Key Properties
Cross-validated computational properties for Palladium trifluoride, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for PdF3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.05 | 0.0000 | -9.537 | 5.32 |
| R-3c (No. 167) | trigonal | 0.00 | 0.0147 | -9.522 | 5.30 |
| P321 (No. 150) | trigonal | 0.00 | 0.0633 | -9.473 | 4.79 |
| C2/c (No. 15) | monoclinic | 0.00 | 1.0990 | -8.438 | 1.90 |
| R-3c (No. 167) | Trigonal | — | — | — | 5.30 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 6.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.87 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.19 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.56 |
| P6/mmm (No. 191) | Hexagonal | — | — | — | 6.59 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.79 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.86 |
Applications
Where Palladium trifluoride is used.
Frequently Asked Questions
Common questions about Palladium trifluoride, answered from cross-validated data.
What is PdF3?
Palladium trifluoride is a stable, semiconducting inorganic compound utilized in research related to catalytic materials.
What is PdF3 used for?
What is the band gap of PdF3?
Is PdF3 a metal, semiconductor, or insulator?
Is PdF3 thermodynamically stable?
What is the crystal structure of PdF3?
What is the density of PdF3?
How many polymorphs of PdF3 are known?
What elements does PdF3 contain?
Where does the data for PdF3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike intermetallic compounds such as BaPd or Ga2Ru, which typically exhibit metallic behavior, PdF3 stands apart due to its semiconducting character and its reliance on fluorine coordination, placing it in a unique subset of the broader platinum-group materials class.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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